N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine

C22H27NO5CAS 64263-81-6385.46 g/mol

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NOOOOHO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C22H27NO5
Molar mass
385.46 g/mol
Exact mass
385.1889 Da
Melting point
130–134 °C
logP
4.13Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
64263-81-6
SMILES
CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIKey
FSNRGORPOYPIJC-IBGZPJMESA-N
InChI
InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23(4)19(20(24)25)14-16-10-12-18(13-11-16)27-15-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,24,25)/t19-/m0/s1

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Names and synonyms

4 names
  • L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-
  • Boc-MeTyr(OBn)-OH
  • (2S)-2-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
  • Boc-N-me-tyr(bzl)-OH

Work with N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-N-methyl-L-phenylalanine37553-65-483 % similar N-Boc-N-methyl-D-phenylalanine85466-66-683 % similar Boc-MeTyr(tBu)-OH66638-37-775 % similar Boc-D-N-me-phe DCHA102185-45-571 % similar Boc-N-me-phe DCHA40163-88-071 % similar Boc-MeTyr-OH82038-34-471 % similar Cbz-N-methyl-L-phenylalanine2899-07-267 % similar O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine2130-96-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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